2-(4-morpholin-4-ylsulfonylphenyl)-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid

Systemtic Name: 2-(4-morpholin-4-ylsulfonylphenyl)-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid Openeye Name: 2-(4-morpholinosulfonylphenyl)-1-(4-nitrophenyl)cyclobutanecarboxylic acid CAS Name: 2-[4-(4-morpholinylsulfonyl)phenyl]-1-(4-nitrophenyl)-1-cyclobutanecarboxylic acid IUPAC Name: 2-(4-morpholin-4-ylsulfonylphenyl)-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid Traditional Name: 2-(4-morpholinosulfonylphenyl)-1-(4-nitrophenyl)cyclobutanecarboxylic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)(C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(C1C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)(C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H22N2O7S/c24-20(25)21(16-3-5-17(6-4-16)23(26)27)10-9-19(21)15-1-7-18(8-2-15)31(28,29)22-11-13-30-14-12-22/h1-8,19H,9-14H2,(H,24,25)